4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester
TL;DR: 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester (CAS 13631-56-6) is a chemical compound with molecular formula C12H8Cl2O3S and molecular weight 301.95712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl) 4-chlorobenzenesulfonate
Also Known As: 2-chlorophenyl 4'-chlorobenzenesulfonate, (2-chlorophenyl) 4-chlorobenzenesulfonate, 2-chlorophenyl 4-chlorobenzene-1-sulfonate, 4-CHLORO-BENZENESULFONIC ACID 2-CHLORO-PHENYL ESTER, 1-chloro-4-(2-chlorophenoxy)sulfonyl-benzene
Technical Specifications
| Molecular Formula | C12H8Cl2O3S |
| Molecular Weight | 301.95712 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.95712 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | C1=CC=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl |
| InChIKey | HOGFADOEQYYQAL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester
Property Insights of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester
The XLogP value of 4.3 indicates that 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester?
The CAS number of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester is 13631-56-6.
What is the molecular formula of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester?
The molecular formula of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester is C12H8Cl2O3S.
What is the molecular weight of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester?
The molecular weight of 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester is 301.95712 g/mol.
Where can I buy 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester?
You can request a quote for 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-benzenesulfonic acid 2-chloro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.